N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide

C14H19ClN2O2 — CID 63010284

IUPACN-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)C1CCCOC1
InChIInChI=1S/C14H19ClN2O2/c1-17(14(18)10-3-2-6-19-9-10)8-11-7-12(16)4-5-13(11)15/h4-5,7,10H,2-3,6,8-9,16H2,1H3
InChIKeyKAYJYGCIHIXPIB-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.31
Rot. Bonds3

About N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide

N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide (PubChem CID 63010284) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
PubChem CID63010284
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)C1CCCOC1
InChIInChI=1S/C14H19ClN2O2/c1-17(14(18)10-3-2-6-19-9-10)8-11-7-12(16)4-5-13(11)15/h4-5,7,10H,2-3,6,8-9,16H2,1H3
InChIKeyKAYJYGCIHIXPIB-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide (CID 63010284) is N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide is CN(Cc1cc(N)ccc1Cl)C(=O)C1CCCOC1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide?
The InChIKey is KAYJYGCIHIXPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(14(18)10-3-2-6-19-9-10)8-11-7-12(16)4-5-13(11)15/h4-5,7,10H,2-3,6,8-9,16H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide?
N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide is sourced from PubChem (CID 63010284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).